2-(4-Bromobenzylidene)malononitrile

Base Information

• Chemical Name: 2-(4-Bromobenzylidene)malononitrile
• CAS No.: 2826-24-6
• Molecular Formula: C10H5 Br N2
• Molecular Weight: 233.067
• Hs Code.: 2926909090
• NSC Number: 637331,532
• DSSTox Substance ID: DTXSID70277040
• Nikkaji Number: J581.902D
• Mol file: 2826-24-6.mol

Synonyms:2826-24-6;2-(4-Bromobenzylidene)malononitrile;2-[(4-bromophenyl)methylene]malononitrile;2-[(4-bromophenyl)methylidene]propanedinitrile;NSC637331;(4-bromobenzylidene)malononitrile;NSC532;(4-bromobenzylidene)propanedinitrile;SCHEMBL9591757;alpha-Cyano-4-bromocinnamonitrile;DTXSID70277040;NSC 532;NSC-532;CAA82624;MCK102955;MFCD00176213;STL069568;AKOS000499237;2-(4-Bromo-benzylidene)-malononitrile;2-(4-Bromobenzylidene)malononitrile #;NSC-637331;(P-BROMOBENZYLIDENE)MALONONITRILE;Benzene, 1-bromo-4-(2,2-dicyanoethenyl);[(4-Bromophenyl)methylidene]propanedinitrile;2-[(4-bromophenyl)methylene]propanedinitrile;CS-0110446;9Y-0818;J-505908;Z44300008;F3146-0061

Chemical Property of 2-(4-Bromobenzylidene)malononitrile

Chemical Property:

• Vapor Pressure: 3.37E-05mmHg at 25°C
• Melting Point: 160-162°
• Boiling Point: 354.3°Cat760mmHg
• Flash Point: 168.1°C
• PSA: 47.58000
• Density: 1.557g/cm³
• LogP: 2.87966
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 231.96361
• Heavy Atom Count: 13
• Complexity: 275

Purity/Quality:

97% ^*data from raw suppliers

2-[(4-Bromophenyl)methylene]malononitrile >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=C(C#N)C#N)Br

Technology Process of 2-(4-Bromobenzylidene)malononitrile

There total 16 articles about 2-(4-Bromobenzylidene)malononitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

4-bromo-benzaldehyde (1122-91-4) + malononitrile (109-77-3) → 4-bromobenzylidenemalononitrile (2826-24-6)

Guidance literature:

With polyethylenimine functionalized Si-MCM-41 grafted on surfacemodified graphene oxide; In tetrahydrofuran; benzene; for 0.5h;

DOI:10.1007/s10562-018-2368-6

Reference yield: 97.0%

4-bromobenzaldehyde diethyl acetal (34421-94-8) + malononitrile (109-77-3) → 4-bromobenzylidenemalononitrile (2826-24-6)

Guidance literature:

With PS-perazine; PS-N-SO₃; In ethyl acetate; at 50 ℃; for 3h;

Reference yield: 96.0%

1,1-dimethoxy-1-(4-bromophenyl)methane (24856-58-4) + malononitrile (109-77-3) → 4-bromobenzylidenemalononitrile (2826-24-6)

Guidance literature:

In ethyl acetate; at 50 ℃;

upstream raw materials:

4-bromo-benzaldehyde

malononitrile

N-(4-bromobenzylidene)-4-methylbenzenesulfonamide

acetophenone

Downstream raw materials:

2-benzyl-2-(4-bromophenyl)malononitrile

3-(4-Bromphenyl)-1.1.1-triphenyl-2.2-dicyan-propan

7‐amino‐5‐(4‐bromophenyl)‐2,4‐dioxo‐1,3,4,5‐tetrahydro‐2H‐pyrano[2,3‐d]pyrimidine‐6‐carbonitrile

4-(4-bromophenyl)-2-thioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile